Resolving the Shortcomings in Modern NH3 Kinetics Models using Detailed Species Time Histories and Direct Rate Measurements

使用详细的物种时间历史和直接速率测量解决现代 NH3 动力学模型的缺点

• 批准号: 2308433
• 负责人: Eric Petersen
• 金额: $ 41万
• 依托单位: Texas A&M Engineering Experiment Station
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2023
• 资助国家: 美国
• 起止时间: 2023-07-15 至 2026-06-30
• 项目状态: 未结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=2308433&HistoricalAwards=false
• 关键词: Resolving; Shortcomings; Modern; NH3; Kinetics

Because of its zero-carbon content and established production methods, ammonia (NH3) has drawn much interest as a fuel for power generation and propulsion. Many research studies worldwide have been conducted over the past few years in an attempt to understand and predict its combustion chemistry. However, there are wide discrepancies among current models that are used to predict the combustion behavior of ammonia, and none can match the entire existing data set, so progress has been incremental and sometimes inconsistent. This project will resolve much of the current discrepancies and increase the reliability and predictive capability of ammonia chemistry models. The PI and his team will utilize state-of-the-art laser diagnostics and lab facilities to measure the model parameters that are currently missing. Research into hydrogen-based fuel sources such as ammonia will ultimately help to reduce the production of greenhouse gases globally. This multidisciplinary research project will allow graduate students from both mechanical engineering and physical chemistry backgrounds to interact on a daily basis. Ongoing, complementary projects in the PI’s lab and the Turbomachinery Laboratory’s undergraduate research program will broaden the number of participants while giving undergraduate students exposure to research using lasers for combustion chemistry.Although many results have been generated in recent years on ammonia chemical kinetics, most of the data have been for characterization of global reactivity, namely ignition delay times and laminar flame speeds. However, improved insight into the chemical kinetics of NH3 can be made by focusing on the measurement of detailed species time histories in a shock tube. Such measurements can be tailored for the validation of oxidation mechanisms and the direct measurement of rate coefficients. This project will measure species time histories for mechanism diagnosis and for making direct measurements of the rate constants of key reactions in the NH3 oxidation mechanism. By using a shock tube to produce the high-temperature conditions (1000 – 2500 K), laser absorption measurements of NH2, NH3, H2O, and N2O will be performed, and the reaction rates of at least 2 important reactions will be measured with high accuracy. The successful completion of the project will advance the fundamental understanding and prediction of ammonia oxidation. By focusing on the detailed information that concentration time histories of important species can provide, many of the discrepancies that currently exist among NH3 chemical kinetics models can be resolved. Direct measurements of the rate coefficients of individual, critical reactions at combustion temperatures will further improve the accuracy of detailed kinetics mechanisms for ammonia combustion.This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.

由于其零碳含量和既定生产方法，氨（NH3）引起了极大的兴趣，作为发电和推进的燃料。在过去的几年中，全世界进行了许多研究，以了解和预测其组合化学。但是，当前模型之间存在广泛的差异，用于预测氨的组合行为，没有一个可以匹配整个现有数据集，因此进度是逐步的，有时是不一致的。该项目将解决当前的许多差异，并提高氨化学模型的可靠性和预测能力。 PI和他的团队将利用最先进的激光诊断和实验室设施来衡量当前缺少的模型参数。研究基于氢的燃料来源（例如氨）将最终有助于减少全球温室气体的产生。这个多学科研究项目将使来自机械工程和物理化学背景的研究生每天进行互动。正在进行的PI实验室和涡轮机械实验室的本科研究计划中正在进行的，完整的项目将扩大参与者的数量，同时让本科生接触使用激光器进行研究的研究。尽管近年来，许多结果都是在氨化学动力学方面产生的，大多数数据是用于全球反应性的大多数数据，并迅速延迟了全球延迟延迟时间和lamiNAr liminar and anm liminin。但是，可以通过重点关注减震管中详细的物种时间历史来改善对NH3化学动力学的见解。可以针对氧化机制的验证和速率系数的直接测量来定制此类测量。该项目将测量物种的时间历史，以进行机理诊断，并直接测量NH3氧化机制中关键反应的速率常数。通过使用冲击管产生高温条件（1000 - 2500 K），将执行NH2，NH3，H2O和N2O的激光吸收测量值，并以高精度测量至少2个重要反应的反应速率。该项目的成功完成将提高氨氧化的基本理解和预测。通过关注重要物种的集中时间历史可以提供的详细信息，可以解决NH3化学动力学模型中当前存在的许多差异。直接测量个体的速率系数，在组合温度下的关键反应将进一步提高氨组合的详细动力学机制的准确性。该奖项反映了NSF的法定任务，并被认为是通过基金会的知识分子优点和更广泛影响的审查标准来通过评估而被认为是珍贵的支持。